Geometry & MOs

Info

ID:	369125
PubChem CID:	127331348
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-15.77
Dipole, Da:	6.83
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-1-ethylcinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC(C3)C4=NC(=NO4)C

DOS

IR

Vibrations